John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AoepHr9TQdf SpectraBase Spectrum ID=2Ah4tiHLzbW

(accessed ).
QLDCEMKXQWIBSA-KLSMLCAOSA-N
SpectraBase Compound ID AoepHr9TQdf
InChI InChI=1S/C63H114N6O26/c1-4-6-8-10-12-14-16-18-42(19-17-15-13-11-9-7-5-2)69(41(3)70)34-37-92-63-60(89)57(86)52(81)43(95-63)38-66(28-20-46(71)64-26-35-90-61-58(87)55(84)53(82)44(93-61)39-67(30-22-48(73)74)31-23-49(75)76)29-21-47(72)65-27-36-91-62-59(88)56(85)54(83)45(94-62)40-68(32-24-50(77)78)33-25-51(79)80/h42-45,52-63,81-89H,4-40H2,1-3H3,(H,64,71)(H,65,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t43-,44-,45+,52-,53-,54+,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1
InChIKey QLDCEMKXQWIBSA-KLSMLCAOSA-N
Mol Weight 1371.6 g/mol
Molecular Formula C63H114N6O26
Exact Mass 1370.778279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ah4tiHLzbW
Name QLDCEMKXQWIBSA-KLSMLCAOSA-N
Compound Number 17
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H114N6O26
InChI InChI=1S/C63H114N6O26/c1-4-6-8-10-12-14-16-18-42(19-17-15-13-11-9-7-5-2)69(41(3)70)34-37-92-63-60(89)57(86)52(81)43(95-63)38-66(28-20-46(71)64-26-35-90-61-58(87)55(84)53(82)44(93-61)39-67(30-22-48(73)74)31-23-49(75)76)29-21-47(72)65-27-36-91-62-59(88)56(85)54(83)45(94-62)40-68(32-24-50(77)78)33-25-51(79)80/h42-45,52-63,81-89H,4-40H2,1-3H3,(H,64,71)(H,65,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)/t43-,44-,45+,52-,53-,54+,55+,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1
InChIKey QLDCEMKXQWIBSA-KLSMLCAOSA-N
Literature Reference Author M.DUBBER,A.PATEL,K.SADALAPURE,I.AUMUELLER,T.K.LINDHORST
Literature Reference Citation EUR.J.ORG.CHEM.,5357(2006)
Molecular Weight 1371.623 g/mol
Sample ID 44685
Solvent D2O
SpectraBase Batch ID BJtCvvPWoji